| SpectraBase Spectrum ID |
EmjyFN5vVmV |
| Name |
[(1R,3S,5S)-5-iodo-1,3-dimethyl-hexoxy]methylbenzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.079360360 u |
| Formula |
C15H23IO |
| InChI |
InChI=1S/C15H23IO/c1-12(9-13(2)16)10-14(3)17-11-15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3/t12-,13+,14-/m1/s1 |
| InChIKey |
ZPTJTJSWGBURLQ-HZSPNIEDSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800792 |
| Molecular Weight |
346.252 g/mol |
| Optical Rotation |
[a]D20 = 31.2 (c = 0.57, CHCl3) |
| Quality |
57 |
| Reported Formula |
C15H23OI |
| SMILES |
[C@@](C[C@](C[C@@](C)(OCC1=CC=CC=C1)[H])(C)[H])(I)(C)[H] |
| SPLASH |
splash10-0006-9100000000-5958fa032f01a4de10d7 |
| Sample Comments |
dr > 99:1, >99% ee |
| Source of Spectrum |
ACI-57-SM73-2R,4S,6S-19 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890724 |
![[(1R,3S,5S)-5-iodo-1,3-dimethyl-hexoxy]methylbenzene](/api/spectrum/EmjyFN5vVmV/structure.png?h=300&w=458 "[(1R,3S,5S)-5-iodo-1,3-dimethyl-hexoxy]methylbenzene")
